3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine

C24H25FN6O2 — CID 25166183

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine
SMILESCOc1cc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)n2)ccc1OCCN1CCCC1
InChIInChI=1S/C24H25FN6O2/c1-32-21-12-15(4-7-20(21)33-11-10-31-8-2-3-9-31)19-14-27-23(26)22(28-19)24-29-17-6-5-16(25)13-18(17)30-24/h4-7,12-14H,2-3,8-11H2,1H3,(H2,26,27)(H,29,30)
InChIKeyCEKYOUIQCZPVSY-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.89
Rot. Bonds7

About 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine

3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine (PubChem CID 25166183) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine
PubChem CID25166183
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine
SMILESCOc1cc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)n2)ccc1OCCN1CCCC1
InChIInChI=1S/C24H25FN6O2/c1-32-21-12-15(4-7-20(21)33-11-10-31-8-2-3-9-31)19-14-27-23(26)22(28-19)24-29-17-6-5-16(25)13-18(17)30-24/h4-7,12-14H,2-3,8-11H2,1H3,(H2,26,27)(H,29,30)
InChIKeyCEKYOUIQCZPVSY-UHFFFAOYSA-N
XLogP3.89
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine (CID 25166183) is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine is COc1cc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)n2)ccc1OCCN1CCCC1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine?
The InChIKey is CEKYOUIQCZPVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-32-21-12-15(4-7-20(21)33-11-10-31-8-2-3-9-31)19-14-27-23(26)22(28-19)24-29-17-6-5-16(25)13-18(17)30-24/h4-7,12-14H,2-3,8-11H2,1H3,(H2,26,27)(H,29,30).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine?
3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine has a molecular weight of 448.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 25166183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).